SCHEMBL28495692

SCHEMBL28495692

COc1ccc(NCc2ccccc2[N+](=O)[O-])cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.62
MAPK1 P28482 2/20 0.62
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH3A1 P30838 1/20 0.53
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
PABPC1 P11940 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
TDO2 P48775 1/20 0.45
HDAC1 Q13547 1/20 0.44
EGFR P00533 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4944345 0.78 L3MBTL1 (0.60) ALDH1A1MAPTMAPK1GAAL3MBTL1
SCHEMBL28487636 0.78 HDAC1 (0.60) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL9650898 0.77 KMT2A (0.63) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL29546539 0.75 ALDH3A1 (0.66) ALDH1A1MAPTMAPK1GAAL3MBTL1
SCHEMBL11745238 0.75 ALDH3A1 (0.66) ALDH1A1MAPTMAPK1GAAL3MBTL1
SCHEMBL15544374 0.74 MEN1 (0.62) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL4250052 0.74 KMT2A (0.59) ALDH1A1MAPTKMT2AMEN1PABPC1
SCHEMBL6347219 0.73 MEN1 (0.62) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL7512143 0.73 ALDH3A1 (0.63) ALDH1A1MAPTMAPK1GAAL3MBTL1
SCHEMBL27971590 0.73 MAPT (0.71) ALDH1A1MAPTMAPK1GAAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN disclosed